SCHEMBL9828810

SCHEMBL9828810

CC(C)(NC(=O)Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 5/20 0.61
SHMT2 P34897 1/20 0.61
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HPGD P15428 2/20 0.53
EPHX2 P34913 1/20 0.52
ALDH1A1 P00352 2/20 0.50
CNR2 P34972 2/20 0.49
CNR1 P21554 1/20 0.49
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
AKR1B1 P15121 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10986259 0.85 MEN1 (0.59) MEN1KMT2AHDAC8HDAC6HPGD
SCHEMBL20827920 0.83 MEN1 (0.49) SHMT1SHMT2MEN1KMT2AHDAC8
SCHEMBL20241470 0.82 SHMT1 (0.62) SHMT1SHMT2
SCHEMBL11196739 0.81 MEN1 (0.55) MEN1KMT2AHDAC8HDAC6HPGD
SCHEMBL25144167 0.80 HPGD (0.56) MEN1KMT2AHDAC8HDAC6HPGD
SCHEMBL6188972 0.80 HPGD (0.56) MEN1KMT2AHDAC8HDAC6HPGD
SCHEMBL9360320 0.80 P2RX7 (0.55) MEN1KMT2AHDAC8HDAC6HPGD
SCHEMBL10982724 0.80 HPGD (0.75) MEN1KMT2AHDAC8HDAC6HPGD
SCHEMBL15086400 0.79 MEN1 (0.52) MEN1KMT2AHDAC8HDAC6HPGD
SCHEMBL31117181 0.79 POLB (0.60) MEN1KMT2AHDAC8HDAC6HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed